Analyte Name

Chitotriose Trihydrochloride

CAS Number

117436-78-9

Molecular Formula

C18H38Cl3N3O13

Molecular Weight

610.86

Accurate Mass

609.15

SMILES

OC[C@@H](O[C@H]([C@@H]([C@H]1O)N)O[C@H]([C@H](O)CO)[C@H](O)[C@@H](N)C=O)[C@H]1O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2N)O)O)CO.Cl.Cl.Cl

InChI

InChI=1S/C18H35N3O13.3ClH/c19-5(1-22)11(27)15(6(26)2-23)33-18-10(21)14(30)16(8(4-25)32-18)34-17-9(20)13(29)12(28)7(3-24)31-17;;;/h1,5-18,23-30H,2-4,19-21H2;3*1H/t5-,6+,7+,8+,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-;;;/m0.../s1

IUPAC

(2R,3R,4S,5R)-2-amino-4-(((2S,3R,4R,5S,6R)-3-amino-5-(((2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,5,6-trihydroxyhexanal trihydrochloride

Alternate CAS Number

41708-93-4 (free base)

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat